SCHEMBL10742034

SCHEMBL10742034

C[S+]([O-])c1cccc(-c2nc3cnncc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ GAA P10253 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ NPC1 O15118 7/20 0.40
▸ HPGD P15428 7/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ TP53 P04637 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ GFER P55789 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10742006 0.86 CYP1A2 (0.40) MEN1GAAKMT2APOLBUSP2
SCHEMBL9635824 0.84 KDM4E (0.45) MEN1GAAKMT2APOLBUSP2
SCHEMBL10738217 0.84 CYP2C9 (0.39) MEN1GAAKMT2APOLBUSP2
Hydrochloric Acid SCHEMBL10851426 0.83 KDM4E (0.44) MEN1GAAKMT2APOLBUSP2
SCHEMBL10737121 0.83 AURKA (0.40) MEN1GAAKMT2APOLBRAB9A
SCHEMBL10742455 0.81 GAA (0.36) MEN1GAAKMT2APOLBUSP2
SCHEMBL10736569 0.80 MEN1 (0.36) MEN1GAAKMT2APOLBUSP2
SCHEMBL10739958 0.80 RAB9A (0.37) MEN1GAAKMT2APOLBUSP2
SCHEMBL10736615 0.77 AMY1A (0.39) GAAMGAMSIMGAM2
SCHEMBL10737627 0.77 PDE5A (0.35) RAB9ASMN1; SMN2NPC1HPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
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